2-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]ethanamide

Systemtic Name: 2-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]ethanamide Openeye Name: 2-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]acetamide CAS Name: 2-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]acetamide IUPAC Name: 2-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]acetamide Traditional Name: N-[6,11-diketo-2-(4-methoxyphenyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(1H-indol-3-yl)acetamide Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CC5=CNC6=CC=CC=C65

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H26N4O4/c1-37-20-9-6-17(7-10-20)18-8-11-24-22(14-18)29(36)33-13-12-25(27(33)28(35)32-24)31-26(34)15-19-16-30-23-5-3-2-4-21(19)23/h2-11,14,16,25,27,30H,12-13,15H2,1H3,(H,31,34)(H,32,35)